Four-dimensional imaging of lattice dynamics using ab-initio simulation
Abstract Time-resolved mapping of lattice dynamics in real- and momentum-space is essential to better understand several ubiquitous phenomena such as heat transport, displacive phase transition, thermal conductivity, and many more. In this regard, time-resolved diffraction and microscopy methods are...
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| Autores principales: | , , , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Nature Portfolio
2021
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/2666a2ba29ce4838a29313cc3439f55b |
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| Sumario: | Abstract Time-resolved mapping of lattice dynamics in real- and momentum-space is essential to better understand several ubiquitous phenomena such as heat transport, displacive phase transition, thermal conductivity, and many more. In this regard, time-resolved diffraction and microscopy methods are employed to image the induced lattice dynamics within a pump–probe configuration. In this work, we demonstrate that inelastic scattering methods, with the aid of theoretical simulation, are competent to provide similar information as one could obtain from the time-resolved diffraction and imaging measurements. To illustrate the robustness of the proposed method, our simulated result of lattice dynamics in germanium is in excellent agreement with the time-resolved x-ray diffuse scattering measurement performed using x-ray free-electron laser. For a given inelastic scattering data in energy and momentum space, the proposed method is useful to image in-situ lattice dynamics under different environmental conditions of temperature, pressure, and magnetic field. Moreover, the technique will profoundly impact where time-resolved diffraction within the pump–probe setup is not feasible, for instance, in inelastic neutron scattering. |
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